%chk=000043531.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043531

1 1
 O   0.3740000      -1.071900      0.3217000    
 O   -3.008100       1.377400     -0.5748000    
 O   -1.828700      0.4242000       1.163600    
 O  -0.1349000      -2.830200      -1.091700    
 N    2.401500      0.9670000      9.4400004E-02
 C   0.9755000       1.192700     -0.2502000    
 C   0.3168000     -0.1020000     -0.7249000    
 C    2.534400     -8.9500003E-02   1.199900    
 C    3.186900      0.4777000      -1.130100    
 C    3.053700       2.263800      0.5929000    
 C   -1.143800      7.6800004E-02  -1.149400    
 C   -2.007000      0.6229000     -3.0200001E-02
 C  -0.1240000      -2.301200      1.0600000E-02
 C  -0.6860000      -2.981400       1.205300    
 C   -3.910200       1.973600      0.3629000    
 H   0.9301000       1.962800      -1.029600    
 H   0.4910000       1.583800      0.6516000    
 H   0.8433000     -0.4944000      -1.601300    
 H    2.531000      -1.095900      0.7751000    
 H    3.517700      4.4399999E-02   1.665400    
 H    1.766400      8.0899999E-02   1.960100    
 H    4.251400      0.4855000     -0.8743000    
 H    2.893900     -0.5438000      -1.382500    
 H    2.994200       1.163800      -1.959900    
 H    2.522900       2.586600       1.493300    
 H    4.106800       2.068600      0.8156000    
 H    2.963000       3.014600     -0.1976000    
 H   -1.611600     -0.8497000      -1.494300    
 H   -1.168600      0.7877000      -1.984900    
 H   6.1799999E-02  -3.011400       2.002100    
 H  -0.9551000      -4.011100      0.9522000    
 H   -1.582600      -2.456800       1.543700    
 H   -3.370200       2.656300       1.025900    
 H   -4.423200       1.198400      0.9401000    
 H   -4.655000       2.544600     -0.1977000    


%chk=000043531-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043531

1 1
O 0.091258 -0.928817 0.179648
O -3.302684 0.900735 -0.292459
O -1.523763 1.911896 0.812573
O -0.282321 -2.467541 -1.539252
N 2.522352 0.864584 0.214480
C 1.110267 1.258209 -0.290544
C 0.243185 0.126185 -0.864474
C 2.432672 0.290488 1.634154
C 3.200033 -0.144643 -0.707183
C 3.366555 2.140512 0.262413
C -1.149869 0.646097 -1.288617
C -1.973953 1.220851 -0.137089
C -0.249777 -2.232271 -0.317321
C -0.554059 -3.176165 0.813774
C -4.251330 1.460628 0.715296
H 1.262822 2.003792 -1.091548
H 0.584093 1.745147 0.548054
H 0.704111 -0.340151 -1.755561
H 1.719857 -0.543794 1.626444
H 3.436135 -0.040790 1.943190
H 2.069790 1.081007 2.308596
H 4.237179 -0.289560 -0.367406
H 2.660221 -1.100568 -0.660905
H 3.198846 0.242792 -1.737661
H 2.825207 2.904741 0.840409
H 4.328096 1.915565 0.748681
H 3.540583 2.500031 -0.763286
H -1.709970 -0.169342 -1.773249
H -1.029639 1.440419 -2.052258
H -0.060183 -2.873251 1.749291
H -0.261215 -4.199875 0.534020
H -1.645303 -3.180653 0.993670
H -4.192630 2.560855 0.713293
H -4.000829 1.076305 1.717059
H -5.238436 1.111382 0.386769


